N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide

C13H25N3O3 — CID 79473160

IUPACN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)13(18)15-11-3-6-16(7-4-11)12(17)9-19-8-5-14/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyMYWDFVCQUJNJPD-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.28
Rot. Bonds6

About N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide

N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 79473160) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID79473160
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C13H25N3O3/c1-10(2)13(18)15-11-3-6-16(7-4-11)12(17)9-19-8-5-14/h10-11H,3-9,14H2,1-2H3,(H,15,18)
InChIKeyMYWDFVCQUJNJPD-UHFFFAOYSA-N
XLogP-0.28
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]acetamide
CID 112701787
1-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 79473074
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
2-methyl-N-(1-propanoylpiperidin-4-yl)propanamide
CID 60769090
N-[1-(5-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 82011596
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
1-[2-(2-aminoethoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 79474031
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
2-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108558496

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide (CID 79473160) is N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)COCCN)CC1.
What is the InChIKey of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is MYWDFVCQUJNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(2)13(18)15-11-3-6-16(7-4-11)12(17)9-19-8-5-14/h10-11H,3-9,14H2,1-2H3,(H,15,18).
What are the key properties of N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 271.36 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 79473160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).